Crystal structures of two triazoles

M. A. Sridhar, N. K. Lokanath, J. Shashidhara Prasad, K. S. Rangappa, N. V.Anil Kumar, D. G.Bhadre Gowda

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

I. 3,5-diphenyl triazole, C14H11N3, Mr = 221.26, monoclinic, Cc, a = 26.982(6) angstroms, β = 5.6806(14) angstroms, c = 7.439(2) angstroms, β = 105.54(2)°, V = 1098.6(5) angstroms3, Z = 4, Dm = 1.312 gm·cm-3, Dc = 1.338 gm·cm-3, μ = 0.083 cm-1, F000 = 464, (MoKα) = 0.71069 angstrom, final R1 and wR2 are 0.0335 and 0.0985 respectively. Hydrogen bonds of the type CH···N are observed in the crystal structure of the compound. The molecules are packed in layers when viewed along b and c, whereas down a it shows a herringbone type of arrangement. II. 4-phenylimidazole, C9H8N2, Mr = 144.18, monoclinic, Pa, a = 7.0291(13) angstroms, b = 12.5142(8) angstroms, c = 9.4476(12) angstroms, β = 100.639(12)°, V = 816.76(18) angstroms3, Z = 4, Dm = 1.161 gm·cm-3, Dc = 1.172 gm·cm-3, μ = 0.072 cm-1, F000 = 304, (MoKα) = 0.71069 angstrom, final R1 and wR2 are 0.0548 and 0.1526 respectively. Hydrogen bonds of the type CH···N and NH···N are observed in this structure. The hydrogen bonded molecules are stacked in layers when viewed along b.

Original languageEnglish
Pages (from-to)137-146
Number of pages10
JournalMolecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals
Volume319
Publication statusPublished - 1998

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Triazoles
Hydrogen bonds
Crystal structure
hydrogen bonds
crystal structure
Molecules
molecules
Hydrogen
hydrogen
diphenyl
4(5)-phenylimidazole

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics

Cite this

Sridhar, M. A., Lokanath, N. K., Prasad, J. S., Rangappa, K. S., Kumar, N. V. A., & Gowda, D. G. B. (1998). Crystal structures of two triazoles. Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals, 319, 137-146.
Sridhar, M. A. ; Lokanath, N. K. ; Prasad, J. Shashidhara ; Rangappa, K. S. ; Kumar, N. V.Anil ; Gowda, D. G.Bhadre. / Crystal structures of two triazoles. In: Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals. 1998 ; Vol. 319. pp. 137-146.
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abstract = "I. 3,5-diphenyl triazole, C14H11N3, Mr = 221.26, monoclinic, Cc, a = 26.982(6) angstroms, β = 5.6806(14) angstroms, c = 7.439(2) angstroms, β = 105.54(2)°, V = 1098.6(5) angstroms3, Z = 4, Dm = 1.312 gm·cm-3, Dc = 1.338 gm·cm-3, μ = 0.083 cm-1, F000 = 464, (MoKα) = 0.71069 angstrom, final R1 and wR2 are 0.0335 and 0.0985 respectively. Hydrogen bonds of the type CH···N are observed in the crystal structure of the compound. The molecules are packed in layers when viewed along b and c, whereas down a it shows a herringbone type of arrangement. II. 4-phenylimidazole, C9H8N2, Mr = 144.18, monoclinic, Pa, a = 7.0291(13) angstroms, b = 12.5142(8) angstroms, c = 9.4476(12) angstroms, β = 100.639(12)°, V = 816.76(18) angstroms3, Z = 4, Dm = 1.161 gm·cm-3, Dc = 1.172 gm·cm-3, μ = 0.072 cm-1, F000 = 304, (MoKα) = 0.71069 angstrom, final R1 and wR2 are 0.0548 and 0.1526 respectively. Hydrogen bonds of the type CH···N and NH···N are observed in this structure. The hydrogen bonded molecules are stacked in layers when viewed along b.",
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Crystal structures of two triazoles. / Sridhar, M. A.; Lokanath, N. K.; Prasad, J. Shashidhara; Rangappa, K. S.; Kumar, N. V.Anil; Gowda, D. G.Bhadre.

In: Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals, Vol. 319, 1998, p. 137-146.

Research output: Contribution to journalArticle

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T1 - Crystal structures of two triazoles

AU - Sridhar, M. A.

AU - Lokanath, N. K.

AU - Prasad, J. Shashidhara

AU - Rangappa, K. S.

AU - Kumar, N. V.Anil

AU - Gowda, D. G.Bhadre

PY - 1998

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N2 - I. 3,5-diphenyl triazole, C14H11N3, Mr = 221.26, monoclinic, Cc, a = 26.982(6) angstroms, β = 5.6806(14) angstroms, c = 7.439(2) angstroms, β = 105.54(2)°, V = 1098.6(5) angstroms3, Z = 4, Dm = 1.312 gm·cm-3, Dc = 1.338 gm·cm-3, μ = 0.083 cm-1, F000 = 464, (MoKα) = 0.71069 angstrom, final R1 and wR2 are 0.0335 and 0.0985 respectively. Hydrogen bonds of the type CH···N are observed in the crystal structure of the compound. The molecules are packed in layers when viewed along b and c, whereas down a it shows a herringbone type of arrangement. II. 4-phenylimidazole, C9H8N2, Mr = 144.18, monoclinic, Pa, a = 7.0291(13) angstroms, b = 12.5142(8) angstroms, c = 9.4476(12) angstroms, β = 100.639(12)°, V = 816.76(18) angstroms3, Z = 4, Dm = 1.161 gm·cm-3, Dc = 1.172 gm·cm-3, μ = 0.072 cm-1, F000 = 304, (MoKα) = 0.71069 angstrom, final R1 and wR2 are 0.0548 and 0.1526 respectively. Hydrogen bonds of the type CH···N and NH···N are observed in this structure. The hydrogen bonded molecules are stacked in layers when viewed along b.

AB - I. 3,5-diphenyl triazole, C14H11N3, Mr = 221.26, monoclinic, Cc, a = 26.982(6) angstroms, β = 5.6806(14) angstroms, c = 7.439(2) angstroms, β = 105.54(2)°, V = 1098.6(5) angstroms3, Z = 4, Dm = 1.312 gm·cm-3, Dc = 1.338 gm·cm-3, μ = 0.083 cm-1, F000 = 464, (MoKα) = 0.71069 angstrom, final R1 and wR2 are 0.0335 and 0.0985 respectively. Hydrogen bonds of the type CH···N are observed in the crystal structure of the compound. The molecules are packed in layers when viewed along b and c, whereas down a it shows a herringbone type of arrangement. II. 4-phenylimidazole, C9H8N2, Mr = 144.18, monoclinic, Pa, a = 7.0291(13) angstroms, b = 12.5142(8) angstroms, c = 9.4476(12) angstroms, β = 100.639(12)°, V = 816.76(18) angstroms3, Z = 4, Dm = 1.161 gm·cm-3, Dc = 1.172 gm·cm-3, μ = 0.072 cm-1, F000 = 304, (MoKα) = 0.71069 angstrom, final R1 and wR2 are 0.0548 and 0.1526 respectively. Hydrogen bonds of the type CH···N and NH···N are observed in this structure. The hydrogen bonded molecules are stacked in layers when viewed along b.

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